2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

C20H21ClN4O3 — CID 8598407

IUPAC2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESC[C@H](NCC(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1ccccc1Cl
InChIInChI=1S/C20H21ClN4O3/c1-13(15-10-6-7-11-16(15)21)22-12-17(26)24-25-18(27)20(2,23-19(25)28)14-8-4-3-5-9-14/h3-11,13,22H,12H2,1-2H3,(H,23,28)(H,24,26)/t13-,20-/m0/s1
InChIKeyGNWUGIZRUDTYRV-RBZFPXEDSA-N
MW400.87 g/mol
LogP2.49
Rot. Bonds6

About 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (PubChem CID 8598407) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
PubChem CID8598407
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC Name2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESC[C@H](NCC(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1ccccc1Cl
InChIInChI=1S/C20H21ClN4O3/c1-13(15-10-6-7-11-16(15)21)22-12-17(26)24-25-18(27)20(2,23-19(25)28)14-8-4-3-5-9-14/h3-11,13,22H,12H2,1-2H3,(H,23,28)(H,24,26)/t13-,20-/m0/s1
InChIKeyGNWUGIZRUDTYRV-RBZFPXEDSA-N
XLogP2.49
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8598410
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
CID 8598409
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
CID 47099545
2-(2-chlorophenoxy)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55342591
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3,3-diphenylpropanamide
CID 84861647
methyl-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8913046
6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid
CID 167859701
2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide
CID 18085942
N-benzhydryl-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306893
2-[1-(2-chlorophenyl)ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 18085946
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 25498107
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 9306812

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The IUPAC name of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (CID 8598407) is 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The canonical SMILES for 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is C[C@H](NCC(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1ccccc1Cl.
What is the InChIKey of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The InChIKey is GNWUGIZRUDTYRV-RBZFPXEDSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-13(15-10-6-7-11-16(15)21)22-12-17(26)24-25-18(27)20(2,23-19(25)28)14-8-4-3-5-9-14/h3-11,13,22H,12H2,1-2H3,(H,23,28)(H,24,26)/t13-,20-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide has a molecular weight of 400.87 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 8598407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).